methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate

C16H17NO5S — CID 803078

IUPACmethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C16H17NO5S/c1-20-13-8-11(16(19)22-3)12(9-14(13)21-2)17-15(18)7-10-5-4-6-23-10/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyGWIRYOOQAMFEDV-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.73
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate (PubChem CID 803078) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
PubChem CID803078
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C16H17NO5S/c1-20-13-8-11(16(19)22-3)12(9-14(13)21-2)17-15(18)7-10-5-4-6-23-10/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyGWIRYOOQAMFEDV-UHFFFAOYSA-N
XLogP2.73
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}phenyl)thiophene-2-carboxamide
CID 1164619
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4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
2-[(2-Benzylsulfanylacetyl)amino]-4,5-dimethoxybenzoic acid
CID 1311451
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
Methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
CID 584792
6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 373177
4,5-Dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoic acid
CID 839551
Methyl 4,5-dimethoxy-2-{[(phenylsulfanyl)acetyl]amino}benzoate
CID 995672
Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 44367760
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-thiophen-3-ylacetamide
CID 8933682

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate (CID 803078) is methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1cccs1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
The InChIKey is GWIRYOOQAMFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-20-13-8-11(16(19)22-3)12(9-14(13)21-2)17-15(18)7-10-5-4-6-23-10/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate is sourced from PubChem (CID 803078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).